Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKEIKRRNRMKNKRLIGIIAALAVLVAGSLIYSSMNKSEAQNNKDEKKITKIGVLQFVSHPSLDLIYKGIQDGLAEEGYKDDQVKIDFMNSEGDQSKVATMSKQLVANGNDLVVGIATPAAQGLASA-TKDLPVIMAAITDPIGANLVKDLKKPGGNVTGVSDHNPAQQQVELIKALTPNVKTIGALYSSSEDNSKTQVEEFKAYAEKAGLTVETF-AV--PSTNEIASTVTVMT---SKVDAIWVPIDNTIASGFPTVVSSNQS--SKKPIYPSATAMV---EVGGLASVVIDQHDLGVATGKMIVQVLKGAKPADTPVNVFSIGKSVINKKIAQELGITIPESVLKEAGQVIE 3K9C Chain:B ((9-261)) ----------------------------------------------QASSRLLGVVFELQQPFHGDLVEQIYAAATRRGY---D--VMLSAVAPS-RAEKVAVQALMRERCEAAILLGTRFDTDELGALADRVPALVVARASGLP----------GVGAVRGDDVAGITLAVDHLTEL--GHRNIAHIDGADAPGGADRRAGFLAAMDRHGLSASATVVTGGTTETEGAEGMHTLLEMPTPPTAVVAFNDRCATGVLDLLVRSGRDVPADISVVGYDDSRLARIPHVQMTTISQDATHMAEAAVDGALAQISGDKAV---------------------------------------

General information: TITO was launched using: RESULT: Template: 3K9C.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1366 -61688 -45.16 -255.97 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -45.16 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.388

(partial model without unconserved sides chains): PDB file : Tito_3K9C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K9C-query.scw PDB file : Tito_Scwrl_3K9C.pdb: